N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine

C13H21N3 — CID 114698820

IUPACN-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCc1cnccc1CNCC1CCCNC1
InChIInChI=1S/C13H21N3/c1-11-7-15-6-4-13(11)10-16-9-12-3-2-5-14-8-12/h4,6-7,12,14,16H,2-3,5,8-10H2,1H3
InChIKeyFNHGDTLTOXDEJC-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.48
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine

N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine (PubChem CID 114698820) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
PubChem CID114698820
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
SMILESCc1cnccc1CNCC1CCCNC1
InChIInChI=1S/C13H21N3/c1-11-7-15-6-4-13(11)10-16-9-12-3-2-5-14-8-12/h4,6-7,12,14,16H,2-3,5,8-10H2,1H3
InChIKeyFNHGDTLTOXDEJC-UHFFFAOYSA-N
XLogP1.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanamine
CID 80554998
1-piperidin-3-yl-N-(pyridazin-3-ylmethyl)methanamine
CID 106895080
N-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-3-ylmethanamine
CID 106623637
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-piperidin-3-yl]methanamine
CID 97163567
N-[(6-chloro-3-pyridinyl)methyl]-1-[(3R)-piperidin-3-yl]methanamine
CID 97163566
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97203512
N-[(4-methyl-3-pyridinyl)methyl]-1-piperidin-2-ylmethanamine
CID 106634516
N-[(4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 80553020
N-[(2-chloro-4-methoxyphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209649
N-[(4-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 114956004
1-(4-methyl-3-pyridinyl)-4-(piperidin-3-ylmethyl)piperazine
CID 120850002

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine (CID 114698820) is N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine is Cc1cnccc1CNCC1CCCNC1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine?
The InChIKey is FNHGDTLTOXDEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-7-15-6-4-13(11)10-16-9-12-3-2-5-14-8-12/h4,6-7,12,14,16H,2-3,5,8-10H2,1H3.
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine?
N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 114698820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).